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2-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
[CAS# 530128-20-2]

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CAS#: 530128-20-2
Product: 2-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
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Identification
Name 2-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
Molecular Structure CAS#: 530128-20-2, 2-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
Molecular Formula C15H9ClIN3O5S
Molecular Weight 505.67
CAS Registry Number 530128-20-2
SMILES O=C(c1ccc(cc1Cl)[N+]([O-])=O)NC(=S)Nc2ccc(I)cc2C(=O)O
InChI 1S/C15H9ClIN3O5S/c16-11-6-8(20(24)25)2-3-9(11)13(21)19-15(26)18-12-4-1-7(17)5-10(12)14(22)23/h1-6H,(H,22,23)(H2,18,19,21,26)
InChIKey RSBVFSGXSDYKEH-UHFFFAOYSA-N
Properties
Density 1.968g/cm3 (Cal.)
Refractive index 1.778 (Cal.)
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